A134 液晶を模擬した異方的粒子の分子動力学シミュレーション : 微小空隙に閉じ込めた場合(マイクロ・ナノスケール3)

概要

論文の詳細を見る
Molecular dynamics simulation of Gay-Berne particles confined between two smooth walls parallel to each other was carried out to study the ordering and transport properties of confined liquid crystals. The equilibration process and ordering were investigated with NhP_<xx>T ensemble (N is the number of particles, h is the distance between two walls, P_<xx> is the element of pressure tensor parallel to walls and T is the temperature) and diffusion coefficients were calculated with NhAE ensemble (A is the area parallel to walls and E is the total energy). There were two kinds of parts: the center part, where the physical properties coincided ones of bulk system and the parts near walls, where liquid crystals possessed higher ordering than center part. The difference of spatial constrain from ordering caused transport properties of two kinds of narts.
社団法人日本機械学会の論文
2006-11-23